4-[4-methyl-3-(4-methylpiperazine-1-sulfonyl)phenyl]phthalazine-1(2H)-thione
Chemical Structure Depiction of
4-[4-methyl-3-(4-methylpiperazine-1-sulfonyl)phenyl]phthalazine-1(2H)-thione
4-[4-methyl-3-(4-methylpiperazine-1-sulfonyl)phenyl]phthalazine-1(2H)-thione
Compound characteristics
| Compound ID: | 4903-2130 |
| Compound Name: | 4-[4-methyl-3-(4-methylpiperazine-1-sulfonyl)phenyl]phthalazine-1(2H)-thione |
| Molecular Weight: | 414.55 |
| Molecular Formula: | C20 H22 N4 O2 S2 |
| Smiles: | Cc1ccc(cc1S(N1CCN(C)CC1)(=O)=O)C1c2ccccc2C(NN=1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.3399 |
| logD: | 3.2646 |
| logSw: | -3.6796 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.464 |
| InChI Key: | KFXCUGWYVIXBKB-UHFFFAOYSA-N |